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  • 1
    Online-Ressource
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    Validation of the OAKS prognostic model for acute kidney injury after gastrointestinal surgery
    Oxford University Press (OUP) ; 2022
    In:  BJS Open Vol. 6, No. 1 ( 2022-01-06)
    Details
    In: BJS Open, Oxford University Press (OUP), Vol. 6, No. 1 ( 2022-01-06)
    Kurzfassung: Postoperative acute kidney injury (AKI) is a common complication of major gastrointestinal surgery with an impact on short- and long-term survival. No validated system for risk stratification exists for this patient group. This study aimed to validate externally a prognostic model for AKI after major gastrointestinal surgery in two multicentre cohort studies. Methods The Outcomes After Kidney injury in Surgery (OAKS) prognostic model was developed to predict risk of AKI in the 7 days after surgery using six routine datapoints (age, sex, ASA grade, preoperative estimated glomerular filtration rate, planned open surgery and preoperative use of either an angiotensin-converting enzyme inhibitor or an angiotensin receptor blocker). Validation was performed within two independent cohorts: a prospective multicentre, international study (‘IMAGINE’) of patients undergoing elective colorectal surgery (2018); and a retrospective regional cohort study (‘Tayside’) in major abdominal surgery (2011–2015). Multivariable logistic regression was used to predict risk of AKI, with multiple imputation used to account for data missing at random. Prognostic accuracy was assessed for patients at high risk (greater than 20 per cent) of postoperative AKI. Results In the validation cohorts, 12.9 per cent of patients (661 of 5106) in IMAGINE and 14.7 per cent (106 of 719 patients) in Tayside developed 7-day postoperative AKI. Using the OAKS model, 558 patients (9.6 per cent) were classified as high risk. Less than 10 per cent of patients classified as low-risk developed AKI in either cohort (negative predictive value greater than 0.9). Upon external validation, the OAKS model retained an area under the receiver operating characteristic (AUC) curve of range 0.655–0.681 (Tayside 95 per cent c.i. 0.596 to 0.714; IMAGINE 95 per cent c.i. 0.659 to 0.703), sensitivity values range 0.323–0.352 (IMAGINE 95 per cent c.i. 0.281 to 0.368; Tayside 95 per cent c.i. 0.253 to 0.461), and specificity range 0.881–0.890 (Tayside 95 per cent c.i. 0.853 to 0.905; IMAGINE 95 per cent c.i. 0.881 to 0.899). Conclusion The OAKS prognostic model can identify patients who are not at high risk of postoperative AKI after gastrointestinal surgery with high specificity. Presented to Association of Surgeons in Training (ASiT) International Conference 2018 (Edinburgh, UK), European Society of Coloproctology (ESCP) International Conference 2018 (Nice, France), SARS (Society of Academic and Research Surgery) 2020 (Virtual, UK).
    Materialart: Online-Ressource
    ISSN: 2474-9842
    URL: Article
    DOI: 10.1093/bjsopen/zrab150
    Sprache: Englisch
    Verlag: Oxford University Press (OUP)
    Publikationsdatum: 2022
    ZDB Id: 2902033-5
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  • 2
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    Safety and efficacy of non-steroidal anti-inflammatory drugs to reduce ileus after colorectal surgery
    Oxford University Press (OUP) ; 2020
    In:  British Journal of Surgery Vol. 107, No. 2 ( 2020-01-05), p. e161-e169
    Details
    In: British Journal of Surgery, Oxford University Press (OUP), Vol. 107, No. 2 ( 2020-01-05), p. e161-e169
    Kurzfassung: Ileus is common after elective colorectal surgery, and is associated with increased adverse events and prolonged hospital stay. The aim was to assess the role of non-steroidal anti-inflammatory drugs (NSAIDs) for reducing ileus after surgery. Methods A prospective multicentre cohort study was delivered by an international, student- and trainee-led collaborative group. Adult patients undergoing elective colorectal resection between January and April 2018 were included. The primary outcome was time to gastrointestinal recovery, measured using a composite measure of bowel function and tolerance to oral intake. The impact of NSAIDs was explored using Cox regression analyses, including the results of a centre-specific survey of compliance to enhanced recovery principles. Secondary safety outcomes included anastomotic leak rate and acute kidney injury. Results A total of 4164 patients were included, with a median age of 68 (i.q.r. 57–75) years (54·9 per cent men). Some 1153 (27·7 per cent) received NSAIDs on postoperative days 1–3, of whom 1061 (92·0 per cent) received non-selective cyclo-oxygenase inhibitors. After adjustment for baseline differences, the mean time to gastrointestinal recovery did not differ significantly between patients who received NSAIDs and those who did not (4·6 versus 4·8 days; hazard ratio 1·04, 95 per cent c.i. 0·96 to 1·12; P = 0·360). There were no significant differences in anastomotic leak rate (5·4 versus 4·6 per cent; P = 0·349) or acute kidney injury (14·3 versus 13·8 per cent; P = 0·666) between the groups. Significantly fewer patients receiving NSAIDs required strong opioid analgesia (35·3 versus 56·7 per cent; P & lt; 0·001). Conclusion NSAIDs did not reduce the time for gastrointestinal recovery after colorectal surgery, but they were safe and associated with reduced postoperative opioid requirement.
    Materialart: Online-Ressource
    ISSN: 0007-1323 , 1365-2168
    URL: Article
    DOI: 10.1002/bjs.11326
    Sprache: Englisch
    Verlag: Oxford University Press (OUP)
    Publikationsdatum: 2020
    ZDB Id: 2006309-X
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  • 3
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    Safety of hospital discharge before return of bowel function after elective colorectal surgery
    Oxford University Press (OUP) ; 2020
    In:  British Journal of Surgery Vol. 107, No. 5 ( 2020-03-18), p. 552-559
    Details
    In: British Journal of Surgery, Oxford University Press (OUP), Vol. 107, No. 5 ( 2020-03-18), p. 552-559
    Kurzfassung: Ileus is common after colorectal surgery and is associated with an increased risk of postoperative complications. Identifying features of normal bowel recovery and the appropriateness for hospital discharge is challenging. This study explored the safety of hospital discharge before the return of bowel function. Methods A prospective, multicentre cohort study was undertaken across an international collaborative network. Adult patients undergoing elective colorectal resection between January and April 2018 were included. The main outcome of interest was readmission to hospital within 30 days of surgery. The impact of discharge timing according to the return of bowel function was explored using multivariable regression analysis. Other outcomes were postoperative complications within 30 days of surgery, measured using the Clavien–Dindo classification system. Results A total of 3288 patients were included in the analysis, of whom 301 (9·2 per cent) were discharged before the return of bowel function. The median duration of hospital stay for patients discharged before and after return of bowel function was 5 (i.q.r. 4–7) and 7 (6–8) days respectively (P & lt; 0·001). There were no significant differences in rates of readmission between these groups (6·6 versus 8·0 per cent; P = 0·499), and this remained the case after multivariable adjustment for baseline differences (odds ratio 0·90, 95 per cent c.i. 0·55 to 1·46; P = 0·659). Rates of postoperative complications were also similar in those discharged before versus after return of bowel function (minor: 34·7 versus 39·5 per cent; major 3·3 versus 3·4 per cent; P = 0·110). Conclusion Discharge before return of bowel function after elective colorectal surgery appears to be safe in appropriately selected patients.
    Materialart: Online-Ressource
    ISSN: 0007-1323 , 1365-2168
    URL: Article
    DOI: 10.1002/bjs.11422
    Sprache: Englisch
    Verlag: Oxford University Press (OUP)
    Publikationsdatum: 2020
    ZDB Id: 2006309-X
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  • 4
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    The D alton quantum chemistry program system
    Wiley ; 2014
    In:  WIREs Computational Molecular Science Vol. 4, No. 3 ( 2014-05), p. 269-284
    Details
    In: WIREs Computational Molecular Science, Wiley, Vol. 4, No. 3 ( 2014-05), p. 269-284
    Kurzfassung: Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the H artree– F ock, K ohn– S ham, multiconfigurational self‐consistent‐field, M øller– P lesset, configuration‐interaction, and coupled‐cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic‐structure models. Molecular gradients and H essians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge‐origin‐invariant manner. Frequency‐dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one‐, two‐, and three‐photon processes. Environmental effects may be included using various dielectric‐medium and quantum‐mechanics/molecular‐mechanics models. Large molecules may be studied using linear‐scaling and massively parallel algorithms. Dalton is distributed at no cost from http://www.daltonprogram.org for a number of UNIX platforms. This article is categorized under: Software 〉 Quantum Chemistry
    Materialart: Online-Ressource
    ISSN: 1759-0876 , 1759-0884
    URL: Issue
    URL: Article
    DOI: 10.1002/wcms.2014.4.issue-3
    DOI: 10.1002/wcms.1172
    Sprache: Englisch
    Verlag: Wiley
    Publikationsdatum: 2014
    ZDB Id: 2599565-0
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  • 5
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    Autonomous Navigation in Confined Waters - A COLREGs Rule 9 Compliant Framework
    Elsevier BV ; 2022
    In:  IFAC-PapersOnLine Vol. 55, No. 31 ( 2022), p. 222-228
    Details
    In: IFAC-PapersOnLine, Elsevier BV, Vol. 55, No. 31 ( 2022), p. 222-228
    Materialart: Online-Ressource
    ISSN: 2405-8963
    URL: Article
    DOI: 10.1016/j.ifacol.2022.10.435
    Sprache: Englisch
    Verlag: Elsevier BV
    Publikationsdatum: 2022
    ZDB Id: 2839185-8
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  • 6
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    Grounding-aware RRT⁎ for Path Planning and Safe Navigation of Marine Crafts in Confined Waters
    Elsevier BV ; 2021
    In:  IFAC-PapersOnLine Vol. 54, No. 16 ( 2021), p. 195-201
    Details
    In: IFAC-PapersOnLine, Elsevier BV, Vol. 54, No. 16 ( 2021), p. 195-201
    Materialart: Online-Ressource
    ISSN: 2405-8963
    URL: Article
    DOI: 10.1016/j.ifacol.2021.10.093
    Sprache: Englisch
    Verlag: Elsevier BV
    Publikationsdatum: 2021
    ZDB Id: 2839185-8
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  • 7
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    Analysis of the wind energy market in Denmark and future interactions with an emerging hydrogen market
    Elsevier BV ; 2021
    In:  International Journal of Hydrogen Energy Vol. 46, No. 1 ( 2021-01), p. 146-156
    Details
    In: International Journal of Hydrogen Energy, Elsevier BV, Vol. 46, No. 1 ( 2021-01), p. 146-156
    Materialart: Online-Ressource
    ISSN: 0360-3199
    URL: Article
    DOI: 10.1016/j.ijhydene.2020.09.166
    Sprache: Englisch
    Verlag: Elsevier BV
    Publikationsdatum: 2021
    ZDB Id: 1484487-4
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  • 8
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    Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory
    AIP Publishing ; 2009
    In:  The Journal of Chemical Physics Vol. 131, No. 12 ( 2009-09-28)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 131, No. 12 ( 2009-09-28)
    Kurzfassung: The use of perturbation-dependent London atomic orbitals, also called gauge including atomic orbitals, has proven efficient for calculations of NMR shielding constants and other magnetic properties in the nonrelativistic framework. In this paper, the theory of London atomic orbitals for NMR shieldings is extended to the four-component relativistic framework and our implementation is described. The relevance of London atomic orbitals in four-component calculations as well as computational aspects are illustrated with test calculations on hydrogen iodide. We find that the use of London atomic orbitals is an efficient method for reliable calculations of NMR shielding constants with standard basis sets, also for four-component calculations with spin-orbit coupling effects included in the wave function optimization. Furthermore, we find that it is important that the small component basis functions fulfill the magnetic balance for accurate description of the diamagnetic shielding and that the role of London atomic orbitals in the relativistic domain is to provide atomic magnetic balance even in the molecular case, thus greatly improving basis set convergence. The Sternheim approximation, which calculates the diamagnetic contribution as an expectation value, leads to significant errors and is not recommended.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.3240198
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 2009
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 9
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    Relativistic calculations of the rotational g factor of the hydrogen halides and noble gas hydride cations
    AIP Publishing ; 2001
    In:  The Journal of Chemical Physics Vol. 114, No. 1 ( 2001-01-01), p. 84-88
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 114, No. 1 ( 2001-01-01), p. 84-88
    Kurzfassung: The rotational g factors of the hydrogen halides, HX (X=F,Cl,Br,I), and noble gas hydride cations, XH+ (X=Ne,Ar,Kr,Xe), have been calculated at the level of the random phase approximation (RPA) as relativistic four-component linear response functions as well as nonrelativistic linear response functions. In addition, using perturbation theory with the mass-velocity and Darwin operators as perturbations, the relativistic corrections have been estimated as quadratic response functions. It was found that the four-component relativistic calculations give in general a more negative electronic contribution to the rotational g factor than the nonrelativistic calculations with relativistic corrections ranging from 0.2% for HF and NeH+ to 2.9% for XeH+ and 3.5% for HI. The estimates of the relativistic corrections obtained by perturbation theory with the mass-velocity and Darwin operators are in good agreement with the four-component results for HF, HCl, NeH+, and ArH+, whereas for HI, KrH+, and XeH+ they have the wrong sign.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1330206
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 2001
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 10
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    19 F nuclear magnetic shielding tensor of CH 3 F
    Informa UK Limited ; 1995
    In:  Molecular Physics Vol. 86, No. 2 ( 1995-10-10), p. 235-249
    Details
    In: Molecular Physics, Informa UK Limited, Vol. 86, No. 2 ( 1995-10-10), p. 235-249
    Materialart: Online-Ressource
    ISSN: 0026-8976 , 1362-3028
    URL: Article
    DOI: 10.1080/00268979500101971
    Sprache: Englisch
    Verlag: Informa UK Limited
    Publikationsdatum: 1995
    ZDB Id: 1491083-4
    SSG: 12
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